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1. (WO2017155840) IN SILICO PROCESS FOR SELECTING PROTEIN FORMULATION EXCIPIENTS

Pub. No.:    WO/2017/155840    International Application No.:    PCT/US2017/020847
Publication Date: Fri Sep 15 01:59:59 CEST 2017 International Filing Date: Tue Mar 07 00:59:59 CET 2017
IPC: C12Q 1/68
G01N 33/50
G01N 33/53
G01N 33/68
Applicants: MERCK SHARP & DOHME CORP.
INSAIDOO, Francis
ROUSH, David
Inventors: INSAIDOO, Francis
ROUSH, David
Title: IN SILICO PROCESS FOR SELECTING PROTEIN FORMULATION EXCIPIENTS
Abstract:
The invention relates to an in silico screening method to identify candidate excipients for reducing aggregation of a protein in a formulation. The method combines computational molecular modeling and molecular dynamics simulations to identify sites on a protein where non-specific self-interaction and interaction of different test excipients may occur, determine the relative binding energies of such interactions, and select one or more test excipients that meet specified interaction criteria for use as candidate excipients in empirical screening studies.